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January 28, 2026
C2H2N2O
Datos Químicos de C2H2N2O
ID
172
Molecular Scaffold
gKU@HPeKcRp@
Molecular Formula
C2H2N2O
Elemental Composition %
C: 28.5714285714286%
H: 28.5714285714286%
O: 14.2857142857143%
N: 28.5714285714286%
Weight
70.0509
Programa de Cálculo
G16
SMILES
c1nocn1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C2H2N2O/c1-3-2-5-4-1/h1-2H
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
BBVIDBNAYOIXOE-UHFFFAOYSA-N